4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol

C13H17F2NO3S — CID 43455377

IUPAC4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-4-2-1-3-11(12)16-9-5-7-10(17)8-6-9/h1-4,9-10,13,16-17H,5-8H2
InChIKeyRBODEKBQGBULDK-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.40
Rot. Bonds4

About 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol

4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol (PubChem CID 43455377) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol
PubChem CID43455377
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)F
InChIInChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-4-2-1-3-11(12)16-9-5-7-10(17)8-6-9/h1-4,9-10,13,16-17H,5-8H2
InChIKeyRBODEKBQGBULDK-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol (CID 43455377) is 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol is O=S(=O)(c1ccccc1NC1CCC(O)CC1)C(F)F.
What is the InChIKey of 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol?
The InChIKey is RBODEKBQGBULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c14-13(15)20(18,19)12-4-2-1-3-11(12)16-9-5-7-10(17)8-6-9/h1-4,9-10,13,16-17H,5-8H2.
What are the key properties of 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol?
4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol has a molecular weight of 305.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 43455377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).